Jahn-Teller effect of the 2e2g level of chemisorbed benzene
Eiding J, Domcke W, Huber W, Steinrück HP (1991)
Publication Type: Journal article, Original article
Publication year: 1991
Journal
Original Authors: Eiding J., Domcke W., Huber W., Steinrück H.-P.
Publisher: Elsevier
Book Volume: 180
Pages Range: 133-138
DOI: 10.1016/0009-2614(91)87129-Y
Abstract
It is shown that the characteristic double-peak structure of the 2e band in the photoelectron spectra of CH and CD chemisorbed on metal surfaces arises from a fairly strong intramolecular multi-mode dynamical Jahn-Teller effect. An ab initio treatment of the multi-mode Jahn-Teller effect in the isolated 2e hole state of free benzene yields, after suitable broadening, a quantitative description of the band shape observed in the photoelectron spectra. In gas-phase benzene, the strong Jahn-Teller activity of the 2e hole is concealed by its overlapping and strong pseudo-Jahn-Teller coupling with the adjacent 1a hole state. © 1991.
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APA:
Eiding, J., Domcke, W., Huber, W., & Steinrück, H.-P. (1991). Jahn-Teller effect of the 2e2g level of chemisorbed benzene. Chemical Physics Letters, 180, 133-138. https://doi.org/10.1016/0009-2614(91)87129-Y
MLA:
Eiding, J., et al. "Jahn-Teller effect of the 2e2g level of chemisorbed benzene." Chemical Physics Letters 180 (1991): 133-138.
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